CAS RN: 55094-99-0
(S)-2-Hydroxypentanedioic Acid Diethyl Ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260329 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS55094-99-0
- Purity/Analytical Methods: >99.0%
55094-99-0 / diethyl (2S)-2-hydroxypentanedioate
Basic Information
CAS
55094-99-0
Multi CAS
Yes
Molecular Formula
C9H16O5
Molecular Weight
204.220000
Exact Mass
204.099774
InChI
InChI=1S/C9H16O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
DYLHSDCNOUDICA-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.51
TPSA
72.83
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
0.4
Consensus LogP
0.29
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
1-(3-methylphenyl)-1-phenylmethanamine(SALTDATA: HCl)
- CAS RN: 55095-20-0
- Product Code: starshine_CAS55095-20-0
- Purity/Analytical method: >99.0%
-
-
1,1-bis(4-methylphenyl)methanamine
- CAS RN: 55095-22-2
- Product Code: starshine_CAS55095-22-2
- Purity/Analytical method: >99.0%
